2-[4-[4-(dimethylamino)phenyl]piperidin-1-yl]cyclohexan-1-ol

C19H30N2O — CID 15925824

IUPAC2-[4-[4-(dimethylamino)phenyl]piperidin-1-yl]cyclohexan-1-ol
SMILESCN(C)c1ccc(C2CCN(C3CCCCC3O)CC2)cc1
InChIInChI=1S/C19H30N2O/c1-20(2)17-9-7-15(8-10-17)16-11-13-21(14-12-16)18-5-3-4-6-19(18)22/h7-10,16,18-19,22H,3-6,11-14H2,1-2H3
InChIKeyPYZSPSOZFSNJEF-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.24
Rot. Bonds3

About 2-[4-[4-(dimethylamino)phenyl]piperidin-1-yl]cyclohexan-1-ol

2-[4-[4-(dimethylamino)phenyl]piperidin-1-yl]cyclohexan-1-ol (PubChem CID 15925824) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 2-[4-[4-(dimethylamino)phenyl]piperidin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[4-[4-(dimethylamino)phenyl]piperidin-1-yl]cyclohexan-1-ol
PubChem CID15925824
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name2-[4-[4-(dimethylamino)phenyl]piperidin-1-yl]cyclohexan-1-ol
SMILESCN(C)c1ccc(C2CCN(C3CCCCC3O)CC2)cc1
InChIInChI=1S/C19H30N2O/c1-20(2)17-9-7-15(8-10-17)16-11-13-21(14-12-16)18-5-3-4-6-19(18)22/h7-10,16,18-19,22H,3-6,11-14H2,1-2H3
InChIKeyPYZSPSOZFSNJEF-UHFFFAOYSA-N
XLogP3.24
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(dimethylamino)phenyl]piperidin-1-yl]cyclohexan-1-ol?
The IUPAC name of 2-[4-[4-(dimethylamino)phenyl]piperidin-1-yl]cyclohexan-1-ol (CID 15925824) is 2-[4-[4-(dimethylamino)phenyl]piperidin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[4-[4-(dimethylamino)phenyl]piperidin-1-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[4-[4-(dimethylamino)phenyl]piperidin-1-yl]cyclohexan-1-ol is CN(C)c1ccc(C2CCN(C3CCCCC3O)CC2)cc1.
What is the InChIKey of 2-[4-[4-(dimethylamino)phenyl]piperidin-1-yl]cyclohexan-1-ol?
The InChIKey is PYZSPSOZFSNJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-20(2)17-9-7-15(8-10-17)16-11-13-21(14-12-16)18-5-3-4-6-19(18)22/h7-10,16,18-19,22H,3-6,11-14H2,1-2H3.
What are the key properties of 2-[4-[4-(dimethylamino)phenyl]piperidin-1-yl]cyclohexan-1-ol?
2-[4-[4-(dimethylamino)phenyl]piperidin-1-yl]cyclohexan-1-ol has a molecular weight of 302.46 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(dimethylamino)phenyl]piperidin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 15925824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).